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Merck
CN

O4733

Octanoyl chloride

99%

Synonym(s):

Capryloyl chloride

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About This Item

Linear Formula:
CH3(CH2)6COCl
CAS Number:
111-64-8
Molecular Weight:
162.66
Beilstein:
635917
EC Number:
203-891-6
MDL number:
MFCD00000766
UNSPSC Code:
12352100
PubChem Substance ID:
24898002
NACRES:
NA.22

Key Documents

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vapor pressure

2.5 mmHg ( 20 °C)

Quality Level

200

Assay

99%

refractive index

n20/D 1.435 (lit.)

bp

195 °C (lit.)

density

0.953 g/mL at 25 °C (lit.)

SMILES string

CCCCCCCC(Cl)=O

InChI

1S/C8H15ClO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3

InChI key

REEZZSHJLXOIHL-UHFFFAOYSA-N

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Application

Applications of octanoyl chloride include:
  • Synthesis of (R)-2-propyloctanoic acid, a therapeutic agent for Alzheimer′s disease.
  • Synthesis of a variety of N-n-octyl-D-gluconamide based organogels.
  • Building 2-heptylbenzo[d]thiazole moiety to synthesize conjugated copolymer with fluorine, as cathode interlayer in inverted polymer solar cells (PSCs).
  • Octanoyl chloride is one of the essential precursors in the total synthesis of (−)-mandelalide L, a marine macrolide that display significant cytotoxicity against human cancer cell lines.

Pictograms

Skull and crossbonesCorrosion
GHS06,GHS05

Signal Word

Danger

Hazard Statements

H290,H315,H317,H318,H330

Hazard Classifications

Acute Tox. 2 Inhalation - Eye Dam. 1 - Met. Corr. 1 - Skin Irrit. 2 - Skin Sens. 1

Storage Class Code

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 1

Flash Point(F)

179.6 °F - closed cup

Flash Point(C)

82 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
STBK5175
STBG6235
STBG0608V
STBF0001V
STBD1435V

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5, 6-Difluorobenzothiazole-Based Conjugated Polymers with Large Band Gaps and Deep Highest Occupied Molecular Orbital Levels.
Sun J, et al.
ACS Applied Materials & Interfaces, 10(13), 11094-11100 (2018)
Organogels from carbohydrate amphiphiles.
Hafkamp R J, et al.
The Journal of Organic Chemistry, 64(2), 412-426 (1999)
Synthetic Access to the Mandelalide Family of Macrolides: Development of an Anion Relay Chemistry Strategy.
Nguyen M H, et al.
The Journal of Organic Chemistry, 83(8), 4287-4306 (2018)
M Thirumalai et al.
Journal of chromatography. A, 1569, 62-69 (2018-07-22)
In this article, a new reversed-phase high-performance liquid chromatography (RP-HPLC) method for the rapid, selective and sequential separation of toxic heavy metal ions namely, Pb2+, Hg2+, and Cd2+ is reported. For this RP-HPLC method, a C18 silica monolith column (Chromolith
A practical synthesis of optically active (R)-2-propyloctanoic acid: Therapeutic agent for Alzheimer's disease.
Hasegawa T and Yamamoto H
Bulletin of the Chemical Society of Japan, 73(2), 423-428 (2000)
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